1-Chloro-4-(difluoromethanesulfonyl)benzene
TL;DR: 1-Chloro-4-(difluoromethanesulfonyl)benzene (CAS 2488-53-1) is a chemical compound with molecular formula C7H5ClF2O2S and molecular weight 225.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(difluoromethylsulfonyl)benzene
Also Known As: 4- CHLOROBENZENE, 1-chloro-4-(difluoromethylsulfonyl)benzene, 4-chlorophenyl difluoromethyl sulfone, 1-chloro-4-(difluoromethane)sulfonylbenzene, 1-Chloro-4-(difluoromethanesulfonyl)benzene
| Molecular Formula | C7H5ClF2O2S |
|---|---|
| Molecular Weight | 225.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96669 |
| Heavy Atoms | 13 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 2488-53-1 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(F)F)Cl |
| InChIKey | UWBPIDCZHSOMGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(difluoromethanesulfonyl)benzene (CAS 2488-53-1), with molecular formula C7H5ClF2O2S and molecular weight 225.97 g/mol. IUPAC: 1-chloro-4-(difluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Chloro-4-(difluoromethanesulfonyl)benzene
Property Insights of 1-Chloro-4-(difluoromethanesulfonyl)benzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(difluoromethanesulfonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(difluoromethanesulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(difluoromethanesulfonyl)benzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-4-(difluoromethanesulfonyl)benzene?
The CAS number of 1-Chloro-4-(difluoromethanesulfonyl)benzene is 2488-53-1.
What is the molecular formula of 1-Chloro-4-(difluoromethanesulfonyl)benzene?
The molecular formula of 1-Chloro-4-(difluoromethanesulfonyl)benzene is C7H5ClF2O2S.
What is the molecular weight of 1-Chloro-4-(difluoromethanesulfonyl)benzene?
The molecular weight of 1-Chloro-4-(difluoromethanesulfonyl)benzene is 225.97 g/mol.
Where can I buy 1-Chloro-4-(difluoromethanesulfonyl)benzene?
You can request a quote for 1-Chloro-4-(difluoromethanesulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(difluoromethanesulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(difluoromethanesulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.